CID 140681963

C9H14BO7P — CID 140681963

IUPAC—
SMILES[B][C@@H]1O[C@H](COC)[C@H](OP(=O)(O)OC)C1OC#C
InChIInChI=1S/C9H14BO7P/c1-4-15-8-7(17-18(11,12)14-3)6(5-13-2)16-9(8)10/h1,6-9H,5H2,2-3H3,(H,11,12)/t6-,7+,8?,9-/m1/s1
InChIKeyAJTPCTYOHKHPEQ-HCCIXBLDSA-N
MW275.99 g/mol
LogP-0.37
Rot. Bonds6

About CID 140681963

CID 140681963 (PubChem CID 140681963) has the molecular formula C9H14BO7P and a molecular weight of 275.99 g/mol.

Molecular Properties

Compound NameCID 140681963
PubChem CID140681963
Molecular FormulaC9H14BO7P
Molecular Weight275.99 g/mol
Exact Mass276.06
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC)[C@H](OP(=O)(O)OC)C1OC#C
InChIInChI=1S/C9H14BO7P/c1-4-15-8-7(17-18(11,12)14-3)6(5-13-2)16-9(8)10/h1,6-9H,5H2,2-3H3,(H,11,12)/t6-,7+,8?,9-/m1/s1
InChIKeyAJTPCTYOHKHPEQ-HCCIXBLDSA-N
XLogP-0.37
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.99
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze CID 140681963 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 164706434
CID 164706434
CID 153295562
CID 153295562
CID 90304851
CID 90304851
CID 58581223
CID 58581223
CID 59297489
CID 59297489
CID 89182472
CID 89182472
CID 59297477
CID 59297477
CID 20741832
CID 20741832
CID 159888747
CID 159888747
CID 159489647
CID 159489647
CID 166590049
CID 166590049
CID 174046454
CID 174046454

Frequently Asked Questions

What is the IUPAC name of CID 140681963?
The IUPAC name of CID 140681963 (CID 140681963) is not available.
What is the SMILES notation for CID 140681963?
The canonical SMILES for CID 140681963 is [B][C@@H]1O[C@H](COC)[C@H](OP(=O)(O)OC)C1OC#C.
What is the InChIKey of CID 140681963?
The InChIKey is AJTPCTYOHKHPEQ-HCCIXBLDSA-N. The full InChI is InChI=1S/C9H14BO7P/c1-4-15-8-7(17-18(11,12)14-3)6(5-13-2)16-9(8)10/h1,6-9H,5H2,2-3H3,(H,11,12)/t6-,7+,8?,9-/m1/s1.
What are the key properties of CID 140681963?
CID 140681963 has a molecular weight of 275.99 g/mol, XLogP of -0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140681963 is sourced from PubChem (CID 140681963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).